Information card for entry 1558925

Structure parameters

• Formula: C17 H10 N4 O8
• Calculated formula: C17 N4 O8
• SMILES: O=N(=O)c1cc2c3c(cccc3c3ccccc23)c1C(N(=O)=O)(N(=O)=O)N(=O)=O
• Title of publication: Photochemical Nitration by Tetranitromethane. VIII. Isolation, X-Ray Structural Analysis and Chemical Properties of a Vicinal Nitro/trinitromethyl Adduct from Fluoranthene
• Authors of publication: Eberson, Lennart; Hartshorn, Michael P.; Radner, Finn; Robinson, Ward T.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1993
• Journal volume: 47
• Pages of publication: 410 - 415
• a: 11.124 ± 0.025 Å
• b: 6.286 ± 0.004 Å
• c: 11.856 ± 0.004 Å
• α: 90°
• β: 103.84 ± 0.04°
• γ: 90°
• Cell volume: 805 ± 1.9 ų
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.178
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No